[(2S,3S)-2-methyl-3-[3-methyl-3-(oxan-2-yloxy)butyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2-methyl-3-[3-methyl-3-(oxan-2-yloxy)butyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-2-methyl-3-(3-methyl-3-tetrahydropyran-2-yloxy-butyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-methyl-3-[3-methyl-3-(2-oxanyloxy)butyl]-2-oxiranyl]methyl ester IUPAC Name: [(2S,3S)-2-methyl-3-[3-methyl-3-(oxan-2-yloxy)butyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-methyl-3-(3-methyl-3-tetrahydropyran-2-yloxy-butyl)oxiran-2-yl]methyl ester Formula: C21H32O6S MolecularWeight: 412.54018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C(O2)CCC(C)(C)OC3CCCCO3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@]2([C@@H](O2)CCC(C)(C)OC3CCCCO3)C

InChI

InChI=1S/C21H32O6S/c1-16-8-10-17(11-9-16)28(22,23)25-15-21(4)18(26-21)12-13-20(2,3)27-19-7-5-6-14-24-19/h8-11,18-19H,5-7,12-15H2,1-4H3/t18-,19?,21-/m0/s1